N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide

C22H29N3O2 — CID 45193739

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide
SMILESCN(C)Cc1ccc(C(=O)NC2CCCN(C3Cc4ccccc4C3)C2)o1
InChIInChI=1S/C22H29N3O2/c1-24(2)15-20-9-10-21(27-20)22(26)23-18-8-5-11-25(14-18)19-12-16-6-3-4-7-17(16)13-19/h3-4,6-7,9-10,18-19H,5,8,11-15H2,1-2H3,(H,23,26)
InChIKeyRISZFJDJPHIZIO-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.70
Rot. Bonds5

About N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide (PubChem CID 45193739) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide
PubChem CID45193739
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide
SMILESCN(C)Cc1ccc(C(=O)NC2CCCN(C3Cc4ccccc4C3)C2)o1
InChIInChI=1S/C22H29N3O2/c1-24(2)15-20-9-10-21(27-20)22(26)23-18-8-5-11-25(14-18)19-12-16-6-3-4-7-17(16)13-19/h3-4,6-7,9-10,18-19H,5,8,11-15H2,1-2H3,(H,23,26)
InChIKeyRISZFJDJPHIZIO-UHFFFAOYSA-N
XLogP2.70
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide (CID 45193739) is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide is CN(C)Cc1ccc(C(=O)NC2CCCN(C3Cc4ccccc4C3)C2)o1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide?
The InChIKey is RISZFJDJPHIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(2)15-20-9-10-21(27-20)22(26)23-18-8-5-11-25(14-18)19-12-16-6-3-4-7-17(16)13-19/h3-4,6-7,9-10,18-19H,5,8,11-15H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide is sourced from PubChem (CID 45193739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).